Geometry & MOs

Info

ID:	194384
PubChem CID:	78526266
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	409.223966
ΔH_f, kcal/mol:	-130.66
Dipole, Da:	3.7
IP(EA), eV:	-8.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-nitrophenyl)methyl]-N-[(4-propan-2-ylphenyl)methylideneamino]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC4=CC=CC(=C4)NC(=O)C

DOS

IR

Vibrations